SMILES:
COC(=O)C1Cc2ccc(S)cc2C1Molecular Processing
Molecular formula
C11H12O2S
Molecular weight
208.28
Exact mass
208.0558
XLogP
1.86
TPSA
26.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
56.61
Supplementary Information
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